3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 7498-5953 |
| Compound Name: | 3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 317.36 |
| Molecular Formula: | C15 H15 N3 O3 S |
| Smiles: | Cc1cc(C)nc(n1)SCC(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7144 |
| logD: | -0.1714 |
| logSw: | -3.0028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.43 |
| InChI Key: | LHBZQQASGVHGSV-UHFFFAOYSA-N |